4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=38.18620478117247 stress="-6.169486949007556 -0.043801043274128 0.5852488287355592 -0.043801043274128 -8.48090683790987 -0.23867308062770706 0.5852488287355592 -0.23867308062770706 -9.148080441352118" pbc="F T T" Nb 0.11799075 0.09921656 0.10250270 -58.32912308 -33.53565652 -21.94157324 Nb 1.53927793 1.35346826 0.18387230 62.35186185 36.40879435 -19.79478104 Nb 1.40714226 0.13419221 1.62382216 58.12721664 -37.90226591 10.73534213 Nb 0.06937517 1.42250246 1.38133377 -62.14995541 35.02912809 31.00101215